Compound Identification
SMILES
CC1=CC(N2C(CNC(=O)C3=CC(=C(C)C=C3)[N+]([O-])=O)=NN=C2SCC(=O)NC2=NC3=CC=CC=C3S2)=C(C)C=C1
InChIKey
InChIKey=PXXLMRLRYWKPKD-UHFFFAOYSA-N
Formula
C28H25N7O4S2
Mass
587.67
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Azoles
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Subclass
Triazoles
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Level 5
Phenyltriazoles
- Level 6 Phenyl-1,2,4-triazoles
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Level 5
Phenyltriazoles
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Subclass
Triazoles
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Class
Azoles
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Triazoles
Intermediate Tree Nodes
Phenyltriazoles
Direct Parent
Phenyl-1,2,4-triazoles
Alternative Parents
p-Toluamides Benzamides Benzothiazoles Nitrotoluenes Nitrobenzenes p-Xylenes Benzoyl derivatives N-arylamides Nitroaromatic compounds Alkylarylthioethers Thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Carbonyl compounds Organic zwitterions Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyl-1,2,4-triazole - Benzamide - Benzoic acid or derivatives - 1,3-benzothiazole - Nitrobenzene - Nitrotoluene - Toluamide - P-toluamide - Xylene - Aryl thioether - Nitroaromatic compound - Benzoyl - P-xylene - N-arylamide - Alkylarylthioether - Toluene - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Thiazole - Organic nitro compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Thioether - Sulfenyl compound - Carbonyl group - Organic oxide - Organic salt - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic zwitterion - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenyl-1,2,4-triazoles. These are organic compounds containing a 1,2,4-triazole substituted by a phenyl group.
External Descriptors
Not available